N,N-diethyl-4-[[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]piperazine-1-carboxamide

Systemtic Name: N,N-diethyl-4-[[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]piperazine-1-carboxamide Openeye Name: N,N-diethyl-4-[(3-isobutyl-1-methyl-2,6-dioxo-7H-purin-8-yl)methyl]piperazine-1-carboxamide CAS Name: N,N-diethyl-4-[[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]methyl]-1-piperazinecarboxamide IUPAC Name: N,N-diethyl-4-[[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]methyl]piperazine-1-carboxamide Traditional Name: N,N-diethyl-4-[(3-isobutyl-2,6-diketo-1-methyl-7H-purin-8-yl)methyl]piperazine-1-carboxamide Formula: C20H33N7O3 MolecularWeight: 419.52112

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)CC2=NC3=C(N2)C(=O)N(C(=O)N3CC(C)C)C

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)CC2=NC3=C(N2)C(=O)N(C(=O)N3CC(C)C)C

InChI

InChI=1S/C20H33N7O3/c1-6-25(7-2)20(30)26-10-8-24(9-11-26)13-15-21-16-17(22-15)27(12-14(3)4)19(29)23(5)18(16)28/h14H,6-13H2,1-5H3,(H,21,22)